(E)-3-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)prop-2-enoic acid Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)prop-2-enoic acid CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)-2-propenoic acid IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)acrylic acid Formula: C12H12O5 MolecularWeight: 236.22068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=CC1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

COC/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)O

InChI

InChI=1S/C12H12O5/c1-15-6-9(12(13)14)4-8-2-3-10-11(5-8)17-7-16-10/h2-5H,6-7H2,1H3,(H,13,14)/b9-4+